3-butyl-8-[3-[4-(3-methylbutanoyl)piperazin-1-yl]-3-oxidanylidene-propyl]-7-(2-methylpropyl)purine-2,6-dione

Systemtic Name: 3-butyl-8-[3-[4-(3-methylbutanoyl)piperazin-1-yl]-3-oxidanylidene-propyl]-7-(2-methylpropyl)purine-2,6-dione Openeye Name: 3-butyl-7-isobutyl-8-[3-[4-(3-methylbutanoyl)piperazin-1-yl]-3-oxo-propyl]purine-2,6-dione CAS Name: 3-butyl-8-[3-[4-(3-methyl-1-oxobutyl)-1-piperazinyl]-3-oxopropyl]-7-(2-methylpropyl)purine-2,6-dione IUPAC Name: 3-butyl-8-[3-[4-(3-methylbutanoyl)piperazin-1-yl]-3-oxopropyl]-7-(2-methylpropyl)purine-2,6-dione Traditional Name: 3-butyl-7-isobutyl-8-[3-(4-isovalerylpiperazino)-3-keto-propyl]xanthine Formula: C25H40N6O4 MolecularWeight: 488.6229

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN1C2=C(C(=O)NC1=O)N(C(=N2)CCC(=O)N3CCN(CC3)C(=O)CC(C)C)CC(C)C

Isomeric SMILES

CCCCN1C2=C(C(=O)NC1=O)N(C(=N2)CCC(=O)N3CCN(CC3)C(=O)CC(C)C)CC(C)C

InChI

InChI=1S/C25H40N6O4/c1-6-7-10-30-23-22(24(34)27-25(30)35)31(16-18(4)5)19(26-23)8-9-20(32)28-11-13-29(14-12-28)21(33)15-17(2)3/h17-18H,6-16H2,1-5H3,(H,27,34,35)